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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP007685

(1R,8R,9S,16R)-9-[(1R,8R,9S,16R)-16-(3,4-dihydroxyphenyl)-4,6,12-trihydroxy-8-(4-hydroxyphenyl)-15-oxatetracyclo[8.6.1.02,7.014,17]heptadeca-2(7),3,5,10(17),11,13-hexaen-9-yl]-8,16-bis(4-hydroxyphenyl)-15-oxatetracyclo[8.6.1.02,7.014,17]heptadeca-2(7),3,5,10(17),11,13-hexaene-4,6,12-triol

Formula: C56H42O13  |  Mol. Weight: 922.90 g/mol

IUPAC: (1R,8R,9S,16R)-9-[(1R,8R,9S,16R)-16-(3,4-dihydroxyphenyl)-4,6,12-trihydroxy-8-(4-hydroxyphenyl)-15-oxatetracyclo[8.6.1.02,7.014,17]heptadeca-2(7),3,5,10(17),11,13-hexaen-9-yl]-8,16-bis(4-hydroxyphenyl)-15-oxatetracyclo[8.6.1.02,7.014,17]heptadeca-2(7),3,5,10(17),11,13-hexaene-4,6,12-triol

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Overview

Molecular Formula C56H42O13
Molecular Weight 922.90 g/mol
Canonical SMILES C1=CC(=CC=C1C2C(C3=C4C(C(OC4=CC(=C3)O)C5=CC=C(C=C5)O)C6=C2C(=CC(=C6)O)O)C7C(C8=C(C=C(C=C8O)O)C9C(OC1=CC(=CC7=C91)O)C1=CC(=C(C=C1)O)O)C1=CC=C(C=C1)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy